Ethyl 2-chloroacetoacetate(609-15-4) 1H NMR
Product NameEthyl 2-chloroacetoacetate
CAS609-15-4
Molecular FormulaC6H9ClO3
Molecular Weight164.59
InChIInChI=1S/C6H9ClO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3
InChIKey RDULEYWUGKOCMR-UHFFFAOYSA-N
SmilesC(OCC)(=O)C(Cl)C(=O)C
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MassMS-NW-5832 ethyl 2-chloro-3-oxobutyrate C6H9ClO3 (Mass of molecular ion: 164)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 4.7 26.0 1.7 27.0 8.7 28.0 1.4 29.0 16.4 31.0 2.2 41.0 1.0 42.0 2.8 43.0 100.0 44.0 2.6 45.0 2.7 62.0 1.0 69.0 1.7 73.0 1.3 76.0 5.7 78.0 1.8 92.0 1.9 94.0 14.2 96.0 4.6 118.0 4.3 119.0 3.1 120.0 1.6 121.0 1.4 122.0 13.1 124.0 4.2 136.0 1.7 164.0 1.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H9 Cl O3 0.05 ml : 0.5 ml CDCl3 ethyl 2-chloro-3-oxobutyrate 
Assign. Shift(ppm)
A 4.822 B 4.304 C 2.391 D 1.325
Hz ppm Int.1927.12 4.823 406 1730.35 4.330 122 1723.39 4.313 333 1716.19 4.295 345 1708.98 4.277 137 955.93 2.392 1000 952.51 2.384 53 536.62 1.343 474 529.42 1.325 744 526.86 1.319 38 524.78 1.314 25 522.34 1.307 418 519.53 1.300 25 519.04 1.299 26
in CDCl3
liquid film
